• 文献标题:   Cohesive energy and line energy of graphene
  • 文献类型:   Article
  • 作  者:   RUSANOV AI
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   St Petersburg State Univ
  • 被引频次:   7
  • DOI:   10.1039/c4nr00183d
  • 出版年:   2014

▎ 摘  要

The theory presented enables calculating the cohesive energy and line energy (the work of formation of the unit border line length) of graphene from the first-principles data, which also yields estimate of the line tension of graphene at zero temperature. Contributions from chemical bonds and dispersion forces have been estimated separately to give a summary value of 16.7 x 10(-10) J m(-1) for the line energy of graphene. The significance of line energy and line tension for nanotube formation is discussed.